From owner-chemistry@ccl.net Wed Nov 30 00:54:01 2005
From: "Qing Shao shaoqingfly1981*_*gmail.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: Forcefield on Methyl Orange
Message-Id: <-30115-051130002220-28852-lojTyWBmB8MISMWxaLh6Ug**server.ccl.net>
X-Original-From: "Qing  Shao" <shaoqingfly1981-.-gmail.com>


Sent to CCL by: "Qing  Shao" [shaoqingfly1981|-|gmail.com]
 Hi CCLers:
     I want to do some work on the Methyl Orange adsorption. I find the
 choose of forcefield parameter of it is hard and it is difficult to
 make a decision.
   Could any one give me some advices on the forcefield parameter choose?
             Thanks in advance
                                                                  Qing Shao


From owner-chemistry@ccl.net Wed Nov 30 01:28:01 2005
From: "Alan Shusterman alan{:}reed.edu" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: question on molecular orbitals in CO and NO
Message-Id: <-30116-051130010136-4510-soKY9vKel0mcYy0+6Wh7Hw a server.ccl.net>
X-Original-From: Alan Shusterman <alan!A!reed.edu>
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Date: Tue, 29 Nov 2005 22:01:05 -0800
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Sent to CCL by: Alan Shusterman [alan]-[reed.edu]
Sengen,

It's an interesting quote, and it's too bad that we don't have more 
context for it because it can be interpreted in several ways. Probably 
you should write Professor Hoffmann and ask *him* what he means. His 
answer would provide "experimental proof".

Now for my 2 cent interpretation...

First, I think the quote does not imply orbitals are experimental 
observables.

Second, a Hoffmann paper that comes to mind (and I hope my memory is not 
playing tricks on me) is an analysis of through-bond effects on the PE 
spectra of 1,2-diamines. If I recall correctly, different PE spectra 
were predicted for N lone pairs that a) do not interact, b) interact 
through-space, and c) interact through-bond, and Hoffmann's Extended 
Huckel MO calculations indicated the last option was most likely. I 
think the PE data supported his model.

So based on this string of questionable memories, my expanded reading of 
Hoffmann's quote would go like this: I have calculated orbital 
interactions for molecules, and I have used these orbitals to predict 
experimental properties that others tested (and ultimately confirmed) 
using PE spectroscopy.

Third, the on-line article you point to is a celebration of Albert 
Einstein, especially the photoelectric effect. I think Hoffmann was just 
trying to say that PES has been useful for his research because it has 
told him whether his (highly parameterized) models were on a realistic 
track or not. As such, it shows one more way that orbital models make 
contact with experiment, but it is very far from a claim of 
experimentally observed orbitals.

-Alan


Sengen Sun sengensun(~)yahoo.com wrote:

>Sent to CCL by: Sengen Sun [sengensun/a\yahoo.com]
>My apologies if I am a bad guy again.
>
>But in contrast to the recent discussions by Wayne
>Steinmetz and Ulrike Salzner, Roald Hoffmann recently
>said: “Photoelectron spectroscopy has provided me with
>experimental proof of the ways orbitals interact.”
>(See:
>http://acswebcontent.acs.org/chemistry/autumn_2005.pdf)
>  
>
>  
>

-- 
Alan Shusterman
Chemistry Department
Reed College
Portland, OR 97202-8199
503-517-7699
http://academic.reed.edu/chemistry/alan/
"Yield and overcome; Bend and be straight." Lao Tzu 22


From owner-chemistry@ccl.net Wed Nov 30 02:03:01 2005
From: "FyD fyd^u-picardie.fr" <owner-chemistry(~)server.ccl.net>
To: CCL
Subject: CCL:G: Trouble with Gaussian03
Message-Id: <-30117-051130010704-10795-uAjIa0Eqb5xFVEWgWW+WhA(~)server.ccl.net>
X-Original-From: FyD <fyd*o*u-picardie.fr>
Content-Transfer-Encoding: 8bit
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Date: Wed, 30 Nov 2005 06:10:27 +0100
MIME-Version: 1.0


Sent to CCL by: FyD [fyd|*|u-picardie.fr]
Quoting "BOUYER Frédéric 153746 FB153746:-:ATIL.CEA.FR"
<owner-chemistry_._ccl.net>:

> Gaussian03 has been compiled on two same machines, but in one case it is
> runing, on the other case, we have a trouble, see below.
> (machines: Xeon, RedHat9, with ifort, icc and mkl)
>
> Many thanks to let me know what to do in that case. I am looking forward to
> hearing from you.
>
> PS: a df -k command let us know that there is of course enough space on the
> disk.

I am not surprised by your report and for me this has nothing to do with disk
space problem or splitting temporary files...

Do you use the same kernel on the two machines and which one ? From my tests, it
seems that Gaussian does not like some kernel options (I was not able to find
out which one(s); Not yet; kernel 2.6.11 up to 2.6.14) and I wonder if it is
not related to some compilation problems (with PGI in my case)...

Regards, Francois

-- 
 * F.-Y. Dupradeau *
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
       ****
http://www.u-picardie.fr/labo/lbpd/FyD.htm


From owner-chemistry@ccl.net Wed Nov 30 03:22:01 2005
From: "straka~~chem.helsinki.fi (Michal Straka)" <owner-chemistry^^server.ccl.net>
To: CCL
Subject: CCL:G: Trouble with Gaussian03
Message-Id: <-30118-051130030308-12668-rFdwrv37CCmUMecNbYd9AQ^^server.ccl.net>
X-Original-From: straka^^chem.helsinki.fi (Michal Straka)
Content-Disposition: inline
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Date: Wed, 30 Nov 2005 09:02:20 +0200
Mime-Version: 1.0


Sent to CCL by: straka|-|chem.helsinki.fi (Michal Straka)
Hi,

I have had this problem and it was somehow related to kernel,
After installing newer kernel  (vaguely remember 2.6.? FC2 Linux) 
the problem dissapeared. I did not track the problem to its origin which
may be some kernel switch...
It may be the 2G limit mentioned in the other answers but
the message appers at the very begining so I doubt that.

Regards,
Michal

On Tue, Nov 29, 2005 at 07:50:41AM -0500, BOUYER Frédéric 153746 FB153746:-:ATIL.CEA.FR wrote:
> Sent to CCL by: =?iso-8859-1?Q?BOUYER_Fr=E9d=E9ric_153746?= [FB153746+*+ATIL.CEA.FR]
> Dear CCL users,
> 
> Gaussian03 has been compiled on two same machines, but in one case it is
> runing, on the other case, we have a trouble, see below.
> (machines: Xeon, RedHat9, with ifort, icc and mkl)
> 
> Many thanks to let me know what to do in that case. I am looking forward to
> hearing from you.
> 
> Regards,
> 
> Frederic
> 
> PS: a df -k command let us know that there is of course enough space on the
> disk.
> ____________________________________________________________________________
> ________
> 
> ******************************************
> Gaussian 03: IA32L-G03RevC.02 12-Jun-2004
> 29-Nov-2005
> ******************************************
> Erroneous write during file extend. write -1 instead of 4096
> Probably out of disk space.
> Erroneous write during file extend. write -1 instead of 4096
> Probably out of disk space.
> Write error in NtrExt1
> Write error in NtrExt1: Bad address
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> Unknown 003371F1 Unknown Unknown Unknown
> Unknown 007E6B12 Unknown Unknown Unknown
> Unknown 007E5327 Unknown Unknown Unknown
> Unknown 00B935B0 Unknown Unknown Unknown
> Unknown 00B94102 Unknown Unknown Unknown
> Unknown 00A124E2 Unknown Unknown Unknown
> Unknown 00AFF886 Unknown Unknown Unknown
> l1.exe 0805CADA Unknown Unknown Unknown
> l1.exe 08114F4C Unknown Unknown Unknown> 
> 

-- 
------------------------------------------------------------------------
| Michal Straka                   | Department of Chemistry            |
| email: straka[*]chem.helsinki.fi  | P.O. Box 55 (A.I. Virtasen aukio 1)|
| phone: 358-9-191-50306          | University of Helsinki             |
| FAX  : 358-9-191-50279          | FIN-00014, Helsinki, Finland       |
------------------------------------------------------------------------


From owner-chemistry@ccl.net Wed Nov 30 05:20:00 2005
From: "FyD fyd*|*u-picardie.fr" <owner-chemistry!=!server.ccl.net>
To: CCL
Subject: CCL: Trouble with Gaussian03
Message-Id: <-30119-051130045225-5476-SCGD2TGrDVTtUWtLMgZpKg!=!server.ccl.net>
X-Original-From: FyD <fyd[*]u-picardie.fr>
Content-Transfer-Encoding: 8bit
Content-Type: text/plain; charset=ISO-8859-1
Date: Wed, 30 Nov 2005 10:52:10 +0100
MIME-Version: 1.0


Sent to CCL by: FyD [fyd^_^u-picardie.fr]
Quoting "straka~~chem.helsinki.fi (Michal Straka)" <owner-chemistry(-)ccl.net>:

> I have had this problem and it was somehow related to kernel,
> After installing newer kernel  (vaguely remember 2.6.? FC2 Linux)
> the problem dissapeared. I did not track the problem to its origin which
> may be some kernel switch...

Yes I totally agree... The problem is that I just tried one of the last kernel
version (2.6.14.1) and the problem is still present. So I wonder if it is not a
_particular_ option in the kernel... regards, Francois

-- 
 * F.-Y. Dupradeau *
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
       ****
http://www.u-picardie.fr/labo/lbpd/FyD.htm


From owner-chemistry@ccl.net Wed Nov 30 06:51:01 2005
From: "Goedele Roos groos_._vub.ac.be" <owner-chemistry{:}server.ccl.net>
To: CCL
Subject: CCL: pka of alcohols
Message-Id: <-30120-051130062047-15835-d13bc3mUg8HuskBwXZnnXQ{:}server.ccl.net>
X-Original-From: Goedele Roos <groos^vub.ac.be>
Date: Wed, 30 Nov 2005 12:13:20 +0100 (CET)


Sent to CCL by: Goedele Roos [groos-*-vub.ac.be]
dear all,
can anyone provide a good reference of reliable pka`s of alcoholic compound (ROH-type)
Thank you in advance,
Goedele


Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17


From owner-chemistry@ccl.net Wed Nov 30 08:16:00 2005
From: "Noko Phala nphala[#]angloresearch.com" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: question on molecular orbitals in CO and NO
Message-Id: <-30121-051130024135-23143-g/hHM0zXYbU0/cDjQSbwcA~!~server.ccl.net>
X-Original-From: "Noko Phala" <nphala[*]angloresearch.com>
Content-class: urn:content-classes:message
Content-Transfer-Encoding: 8bit
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	charset="us-ascii"
Date: Wed, 30 Nov 2005 09:05:41 +0200
MIME-Version: 1.0


Sent to CCL by: "Noko Phala" [nphala~~angloresearch.com]
Being able to explain photoelectron spectra in terms of MO theory is not
proof for existence of orbitals/orbital interactions. But perhaps the
Nobel Laureate is proposing that the predictive power of the orbital
concept so great that it is hard to not thing they are real.. 

_________________________
Dr Noko Phala
Process Research
Anglo Research 
PO Box 106 Crown Mines 2025
Republic of South Africa
Tel: +27 (11) 377 4817
e-mail: nphala~!~angloresearch.com 

-----Original Message-----
> From: owner-chemistry~!~ccl.net [mailto:owner-chemistry~!~ccl.net] 
Sent: Wednesday, November 30, 2005 2:18 AM
To: Noko Phala
Subject: CCL: question on molecular orbitals in CO and NO

Sent to CCL by: Sengen Sun [sengensun/a\yahoo.com]
My apologies if I am a bad guy again.

But in contrast to the recent discussions by Wayne
Steinmetz and Ulrike Salzner, Roald Hoffmann recently
said: "Photoelectron spectroscopy has provided me with
experimental proof of the ways orbitals interact."
(See:
http://acswebcontent.acs.org/chemistry/autumn_2005.pdf)

My questions are:

1. Is it possible that a Nobel Laureate is always more
correct than other ordinary scientists?

2. Has science been evolving to such an era of
complexity that human will never be able to resolve
right and wrong about opposite philisophical views on
the nature? In the other words, will there be such a
day that science is made correct first unconditionally
when a contradiction arises?

Based on my experience of discussions on CCL, many
graduate students and young scholars on this list are
interested in this kind of questions. 

Thanks in advance for any comments on these issues.

Sengen

-------------------------------  
> From:  "Wayne Steinmetz" <WES04747*pomona.edu> 
> Date:  Fri, 11 Nov 2005 11:02:20 -0800 
> Subject:  CCL: question on molecular orbitals in CO
> and NO 
> 
> 
> You have asked a host of questions around one theme,
> qualitative MO
> theory.
> 
> An excellent summary of experimental data can be
> found
> in P. Krupenie,
> The Band spectrum of Carbon Monoxide.  This was
> published by the US
> Government Printing Office as NSRDS-NBS 5.  The
> government periodicals
> desk at the UCLA library may help you track down
> this
> document.
> Krupenie also published a critical review of
> spectroscopic data for N2
> and O2 in the Journal of Physical Chemical Reference
> Data.
> 
> What is your audience for the qualitative use of MO
> theory?  I have been
> convinced that MO theory provides a good reason for
> bringing back the
> index (Index censorum librorum).  The index was not
> established as an
> absolute prohibition to reading materials but as a
> warning.  Only those
> who are mature enough to understand the materials
> should be exposed to
> it.  When I teach General Chemistry, I ask the
> students to burn the
> section on the MO treatment of diatomic molecules. 
> It
> is usually a
> swindle.  I do use MO theory in the examination of
> the
> properties of
> transition-metal complexes.  In this case, crystal
> field theory is a
> swindle and VB doesn't explain much.
> 
> I do use MO theory to discuss H2 as the treatment
> provides insights into
> the nature of bonding.  Period.  I found that the
> extension to
> homonuclear and heteronuclear diatomic molecules to
> be
> counterproductive.  One has to be well versed in
> quantum mechanics to
> use MO theory correctly.  Alexander Pope was right
> in
> stating "A little
> knowledge is a dangerous thing; drink deeplyu or not
> at all of the
> Pyrean (sic) spring".
> 
> In the right context, qualitative MO theory can be
> used as a framework
> for interpreting experimental data.  The simplistic
> approach in most
> textbooks cannot be used in most cases to predict
> the
> results.  Given
> the low cost of programs such as Spartan that are
> based on good physics,
> why should we bother with the old, flawed approaches
> at all?  In this
> case, the availability of good software should
> change
> the way we teach!
> 
> Molecular orbitals are a means to an end.  They are
> not observables.
> The electron density and the total energy are
> measurable.  This is one
> of the reasons why DFT is so successful.  I have
> found
> that the spacing
> between the orbital energies and in some cases the
> order depend
> critically on the basis set.  Hence, if very
> sophisticated methods yield
> different results for these intermediate pieces, why
> should we encumber
> students with them?
> 
> I would be pleased to continue this discussion if
> you wish.
> 
> Wayne E. Steinmetz
> Carnegie Professor of Chemistry
> Woodbadge Course Director
> Chemistry Department
> Pomona College
> 645 North College Avenue
> Claremont, California 91711-6338
> USA
> phone: 1-909-621-8447
> FAX: 1-909-707-7726
> Email: wsteinmetz .. pomona.edu
> WWW: pages.pomona.edu/~wsteinmetz
> 
> 
> 
> 
> 
> ----------------
> From:  Ulrike Salzner <salzner[a]fen.bilkent.edu.tr>
> 
> Date:  Fri, 11 Nov 2005 17:54:15 +0200 
> Subject:  CCL: question on molecular orbitals in CO
> and NO 
> 
> 
> I was thinking about this a lot. I am still puzzled.
> The first year
> textbooks give the orbital diagram usually without
> reference. I did HF
> calculations, and as it was stated in the other
> mails,
> the order of
> sigma and pi for N2 is different. Interestingly,
> with
> DFT sigma and pi
> orbitals change place. But DFT orbitals are quite
> controversial.
> Experiment measures the order of states not of
> orbitals, and correlated
> methods reproduce the correct ordering of states but
> they do not produce
> molecular orbitals either. So where do those orbital
> interaction
> diagrams come from in the first place? Have
> experimental states been
> mapped onto matching MOs? It would be great if
> someone
> could provide a
> reference regarding this mattter.
> 
> Thanks,
> Ulrike
> 
> Ulrike Salzner
> Associate Professor
> Department of Chemistry
> Bilkent University
> 06800 Bilkent, Ankara
> Turkey
> 
> 
> 
> 
> 
> 		
> __________________________________ 
> Yahoo! Music Unlimited 
> Access over 1 million songs. Try it free. 
> http://music.yahoo.com/unlimited/
> 




		
__________________________________ 
Yahoo! Music Unlimited 
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From owner-chemistry@ccl.net Wed Nov 30 08:51:00 2005
From: "yamini yamini_foru!=!rediffmail.com" <owner-chemistry,server.ccl.net>
To: CCL
Subject: CCL:G: Asymmetry parameter
Message-Id: <-30122-051130081007-14780-ARmof1Uer7tYW3WEbq6v/g,server.ccl.net>
X-Original-From: "yamini" <yamini_foru*rediffmail.com>
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Sent to CCL by: "yamini" [yamini_foru~!~rediffmail.com]
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From owner-chemistry@ccl.net Wed Nov 30 10:52:48 2005
From: "Mario Citra citra++syrres.com" <owner-chemistry*o*server.ccl.net>
To: CCL
Subject: CCL: pka of alcohols
Message-Id: <-30123-051130104710-14855-dWTTvNmCVsFNdr8SMR68KQ*o*server.ccl.net>
X-Original-From: Mario Citra <citra(!)syrres.com>
Content-Type: text/plain; charset="us-ascii"; format=flowed
Date: Wed, 30 Nov 2005 09:39:00 -0500
Mime-Version: 1.0


Sent to CCL by: Mario Citra [citra-.-syrres.com]
Alcohol groups generally have pKa of 13-16, depending upon substituents in 
close proximity to the OH.  Some references that may be useful are:

D.D. Perrin, B. Dempsey and E.P. Serjeant, pKa Prediction for Organic Acids 
and Bases, Chapman and Hall, New York, NY (1981).

Citra MJ.  1999.  Estimating the pka of Phenols, Carboxylic Acids and 
Alcohols by Quantum Chemical Methods.  Chemosphere 38:191-206.

The SPARC estimation program gives excellent predictions and is 
free.  http://ibmlc2.chem.uga.edu/sparc/

At 06:52 AM 11/30/2005 -0500, you wrote:
>Sent to CCL by: Goedele Roos [groos-*-vub.ac.be]
>dear all,
>can anyone provide a good reference of reliable pka`s of alcoholic 
>compound (ROH-type)
>Thank you in advance,
>Goedele
>
>
>Drs. Goedele Roos
>Dienst Algemene Chemie (ALGC)
>Vrije Universiteit Brussel (VUB)
>Pleinlaan 2
>B-1050 Brussels
>Tel: 0032-2-629 35 16
>Fax: 0032-2-629 33 17Regards,
Mario J. Citra   Ph.D.
Syracuse Research Corporation
(315) 452-8406
citra:-:syrres.com
http://esc.syrres.com/


From owner-chemistry@ccl.net Wed Nov 30 13:51:00 2005
From: "Eric Bennett ericb],[pobox.com" <owner-chemistry .. server.ccl.net>
To: CCL
Subject: CCL: pka of alcohols
Message-Id: <-30124-051130120838-28640-yWtOyDdA+jwqrcRGcaCv2Q .. server.ccl.net>
X-Original-From: Eric Bennett <ericb\a/pobox.com>
Content-Transfer-Encoding: 7bit
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Date: Wed, 30 Nov 2005 09:28:06 -0600
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Sent to CCL by: Eric Bennett [ericb[]pobox.com]
Goedele Roos groos_._vub.ac.be wrote:

>Sent to CCL by: Goedele Roos [groos-*-vub.ac.be]
>dear all,
>can anyone provide a good reference of reliable pka`s of alcoholic compound (ROH-type)
>Thank you in advance,
>Goedele
>  
>
Not sure how large a data set you are looking for, but there are about 
16 experimental alcohol pKas summarized in this paper on calcuating pKas 
through QM (see Table 5):

Klicic et al, J Phys Chem A, vol 106, p 1327-35 (2002)

-- 
Eric Bennett


From owner-chemistry@ccl.net Wed Nov 30 14:25:00 2005
From: "Wayne Steinmetz WES04747]-[pomona.edu" <owner-chemistry,,server.ccl.net>
To: CCL
Subject: CCL: question on molecular orbitals in CO and NO
Message-Id: <-30125-051130131017-21839-EB+uiOpNuFoxdqAKjHQr8g,,server.ccl.net>
X-Original-From: "Wayne Steinmetz" <WES04747##pomona.edu>
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Sent to CCL by: "Wayne Steinmetz" [WES04747 : pomona.edu]
Keep in mind that Hoffmann is a poet and uses metaphors to convey
insight.

Wayne E. Steinmetz
Carnegie Professor of Chemistry
Woodbadge Course Director
Chemistry Department
Pomona College
645 North College Avenue
Claremont, California 91711-6338
USA
phone: 1-909-621-8447
FAX: 1-909-707-7726
Email: wsteinmetz[A]pomona.edu
WWW: pages.pomona.edu/~wsteinmetz


-----Original Message-----
> From: owner-chemistry[A]ccl.net [mailto:owner-chemistry[A]ccl.net] 
Sent: Tuesday, November 29, 2005 4:12 PM
To: Wayne Steinmetz
Subject: CCL: question on molecular orbitals in CO and NO

Sent to CCL by: Sengen Sun [sengensun/a\yahoo.com]
My apologies if I am a bad guy again.

But in contrast to the recent discussions by Wayne
Steinmetz and Ulrike Salzner, Roald Hoffmann recently
said: "Photoelectron spectroscopy has provided me with
experimental proof of the ways orbitals interact."
(See:
http://acswebcontent.acs.org/chemistry/autumn_2005.pdf)

My questions are:

1. Is it possible that a Nobel Laureate is always more
correct than other ordinary scientists?

2. Has science been evolving to such an era of
complexity that human will never be able to resolve
right and wrong about opposite philisophical views on
the nature? In the other words, will there be such a
day that science is made correct first unconditionally
when a contradiction arises?

Based on my experience of discussions on CCL, many
graduate students and young scholars on this list are
interested in this kind of questions. 

Thanks in advance for any comments on these issues.

Sengen

-------------------------------  
> From:  "Wayne Steinmetz" <WES04747*pomona.edu> 
> Date:  Fri, 11 Nov 2005 11:02:20 -0800 
> Subject:  CCL: question on molecular orbitals in CO
> and NO 
> 
> 
> You have asked a host of questions around one theme,
> qualitative MO
> theory.
> 
> An excellent summary of experimental data can be
> found
> in P. Krupenie,
> The Band spectrum of Carbon Monoxide.  This was
> published by the US
> Government Printing Office as NSRDS-NBS 5.  The
> government periodicals
> desk at the UCLA library may help you track down
> this
> document.
> Krupenie also published a critical review of
> spectroscopic data for N2
> and O2 in the Journal of Physical Chemical Reference
> Data.
> 
> What is your audience for the qualitative use of MO
> theory?  I have been
> convinced that MO theory provides a good reason for
> bringing back the
> index (Index censorum librorum).  The index was not
> established as an
> absolute prohibition to reading materials but as a
> warning.  Only those
> who are mature enough to understand the materials
> should be exposed to
> it.  When I teach General Chemistry, I ask the
> students to burn the
> section on the MO treatment of diatomic molecules. 
> It
> is usually a
> swindle.  I do use MO theory in the examination of
> the
> properties of
> transition-metal complexes.  In this case, crystal
> field theory is a
> swindle and VB doesn't explain much.
> 
> I do use MO theory to discuss H2 as the treatment
> provides insights into
> the nature of bonding.  Period.  I found that the
> extension to
> homonuclear and heteronuclear diatomic molecules to
> be
> counterproductive.  One has to be well versed in
> quantum mechanics to
> use MO theory correctly.  Alexander Pope was right
> in
> stating "A little
> knowledge is a dangerous thing; drink deeplyu or not
> at all of the
> Pyrean (sic) spring".
> 
> In the right context, qualitative MO theory can be
> used as a framework
> for interpreting experimental data.  The simplistic
> approach in most
> textbooks cannot be used in most cases to predict
> the
> results.  Given
> the low cost of programs such as Spartan that are
> based on good physics,
> why should we bother with the old, flawed approaches
> at all?  In this
> case, the availability of good software should
> change
> the way we teach!
> 
> Molecular orbitals are a means to an end.  They are
> not observables.
> The electron density and the total energy are
> measurable.  This is one
> of the reasons why DFT is so successful.  I have
> found
> that the spacing
> between the orbital energies and in some cases the
> order depend
> critically on the basis set.  Hence, if very
> sophisticated methods yield
> different results for these intermediate pieces, why
> should we encumber
> students with them?
> 
> I would be pleased to continue this discussion if
> you wish.
> 
> Wayne E. Steinmetz
> Carnegie Professor of Chemistry
> Woodbadge Course Director
> Chemistry Department
> Pomona College
> 645 North College Avenue
> Claremont, California 91711-6338
> USA
> phone: 1-909-621-8447
> FAX: 1-909-707-7726
> Email: wsteinmetz .. pomona.edu
> WWW: pages.pomona.edu/~wsteinmetz
> 
> 
> 
> 
> 
> ----------------
> From:  Ulrike Salzner <salzner[a]fen.bilkent.edu.tr>
> 
> Date:  Fri, 11 Nov 2005 17:54:15 +0200 
> Subject:  CCL: question on molecular orbitals in CO
> and NO 
> 
> 
> I was thinking about this a lot. I am still puzzled.
> The first year
> textbooks give the orbital diagram usually without
> reference. I did HF
> calculations, and as it was stated in the other
> mails,
> the order of
> sigma and pi for N2 is different. Interestingly,
> with
> DFT sigma and pi
> orbitals change place. But DFT orbitals are quite
> controversial.
> Experiment measures the order of states not of
> orbitals, and correlated
> methods reproduce the correct ordering of states but
> they do not produce
> molecular orbitals either. So where do those orbital
> interaction
> diagrams come from in the first place? Have
> experimental states been
> mapped onto matching MOs? It would be great if
> someone
> could provide a
> reference regarding this mattter.
> 
> Thanks,
> Ulrike
> 
> Ulrike Salzner
> Associate Professor
> Department of Chemistry
> Bilkent University
> 06800 Bilkent, Ankara
> Turkey
> 
> 
> 
> 
> 
> 		
> __________________________________ 
> Yahoo! Music Unlimited 
> Access over 1 million songs. Try it free. 
> http://music.yahoo.com/unlimited/
> 




		
__________________________________ 
Yahoo! Music Unlimited 
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From owner-chemistry@ccl.net Wed Nov 30 15:01:00 2005
From: "Colin L Weeks (cweeks,Princeton.EDU) cweeks,Princeton.EDU" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: pka of alcohols
Message-Id: <-30126-051130134252-29246-FSqD4SAz9N5P78lY9Rgryg=server.ccl.net>
X-Original-From: "Colin L Weeks (cweeks###Princeton.EDU)" <cweeks###Princeton.EDU>
Content-Disposition: inline
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Date: Wed, 30 Nov 2005 10:55:07 -0500
MIME-Version: 1.0


Sent to CCL by: "Colin L Weeks (cweeks|Princeton.EDU)" [cweeks|Princeton.EDU]
Dear Dr Roos,
  Have a look at the compilation of pKa data at the website below. It includes data for alcohols and cites the original papers.

http://research.chem.psu.edu/brpgroup/pKa_compilation.pdf

Regards, Colin

Dr Colin L. Weeks, Postdoctoral Research Associate
Department of Chemistry, Princeton University
Phone: +1 609-258-3908, Email: cweeks[#]princeton.edu

----- Original Message -----
> From: "Goedele Roos groos_._vub.ac.be" <owner-chemistry[#]ccl.net>
Date: Wednesday, November 30, 2005 7:25 am
Subject: CCL: pka of alcohols
To: "Weeks, Colin L. " <cweeks[#]Princeton.EDU>

> Sent to CCL by: Goedele Roos [groos-*-vub.ac.be]
> dear all,
> can anyone provide a good reference of reliable pka`s of alcoholic 
> compound (ROH-type)
> Thank you in advance,
> Goedele
> 
> 
> Drs. Goedele Roos
> Dienst Algemene Chemie (ALGC)
> Vrije Universiteit Brussel (VUB)
> Pleinlaan 2
> B-1050 Brussels
> Tel: 0032-2-629 35 16
> Fax: 0032-2-629 33 17
> 
> 
> 
> -= This is automatically added to each message by the mailing 
> script =-
> To recover the email address of the author of the message, please 
> changethe strange characters on the top line to the [#] sign. You can 
> also> 
> -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-
> +-+-+
> 
> 
> 
>


From owner-chemistry@ccl.net Wed Nov 30 15:36:01 2005
From: "Andreas Serr serr\a/theorie.physik.uni-muenchen.de" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL: pka of alcohols
Message-Id: <-30127-051130144701-4658-sF/Z4oayBIqknzUNeK1vzg|*|server.ccl.net>
X-Original-From: Andreas Serr <serr()theorie.physik.uni-muenchen.de>
Content-Transfer-Encoding: 8bit
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Date: Wed, 30 Nov 2005 19:52:40 +0100 (CET)
MIME-Version: 1.0


Sent to CCL by: Andreas Serr [serr.:.theorie.physik.uni-muenchen.de]
Hello,

it is not clear whether you are looking for calculations or experiments.

I assume it is calculations and suggest looking at

  Klamt et al., J. Phys. Chem. A, 107 (2003), 9380.

and a number of references therein. Title says "acids" but has a number of
alcohols in it, too.

Best wishes,
Andreas

 
> At 06:52 AM 11/30/2005 -0500, you wrote:
> >Sent to CCL by: Goedele Roos [groos-*-vub.ac.be]
> >dear all,
> >can anyone provide a good reference of reliable pka`s of alcoholic 
> >compound (ROH-type)
> >Thank you in advance,
> >Goedele
> >
> >
> >Drs. Goedele Roos
> >Dienst Algemene Chemie (ALGC)
> >Vrije Universiteit Brussel (VUB)
> >Pleinlaan 2
> >B-1050 Brussels
> >Tel: 0032-2-629 35 16
> >Fax: 0032-2-629 33 17Regards,
> Mario J. Citra   Ph.D.
> Syracuse Research Corporation
> (315) 452-8406
> citra,,syrres.com
> http://esc.syrres.com/
> 


Andreas Serr

Biological Soft-Matter Theory
Sektion Physik - Ludwig-Maximilians-Universitaet
Theresienstr. 37, D-80333 Munich, Germany
tel: +49-(0)89-2180-4603 / fax: +49-(0)89-2180-4517
room no: 304 / e-mail: serr:-:theorie.physik.uni-muenchen.de
http://www.theorie.physik.uni-muenchen.de/biophysics/


From owner-chemistry@ccl.net Wed Nov 30 16:11:00 2005
From: "Dwayne Joseph dwayne_joseph%%hotmail.com" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL:G: DNA Z-matrix
Message-Id: <-30128-051130140119-12459-UdeME4FFagwTagvkHB4xAw_+_server.ccl.net>
X-Original-From: "Dwayne Joseph" <dwayne_joseph^-^hotmail.com>
Content-Type: text/plain; format=flowed
Date: Wed, 30 Nov 2005 18:14:08 +0000
Mime-Version: 1.0


Sent to CCL by: "Dwayne Joseph" [dwayne_joseph]|[hotmail.com]
Hello,

I am a graduate student in physics at Florida A&M University.  I was told 
that i could receive information for GAUSSIAN98 at this email address.  I'm 
currently trying to find a DNA protein Z-matrix to use as an input file for 
GAUSSIAN98.  Any assistance  would be greatly appreciated.

-Dwayne Joseph

<html><DIV><FONT color=#000099>"... I believe in God because when it is my 
time to go&nbsp;I will go!"<BR>- Ashraff from 
Pakistan<BR></FONT></DIV></html>


From owner-chemistry@ccl.net Wed Nov 30 16:46:00 2005
From: "MELCHOR MARTNEZ HERRERA memartin*_*cinvestav.mx" <owner-chemistry\a/server.ccl.net>
To: CCL
Subject: CCL: z-matrix fullerenes
Message-Id: <-30129-051130133812-28826-eQDf/0HnEqikT/Cap9txwA\a/server.ccl.net>
X-Original-From: "MELCHOR MARTNEZ HERRERA" <memartin*|*cinvestav.mx>


Sent to CCL by: "MELCHOR MARTNEZ HERRERA" [memartin:_:cinvestav.mx]
Hi

I will be very grateful if someone could provide me with a Z-matrix input
for fullerene C70 with symmetry D5h and fullerene C84 with symmetry D2 and
D2d. I need my program to recognize the symmetry of these molecules.

Thank you,

Melchor Martnez


From owner-chemistry@ccl.net Wed Nov 30 17:21:00 2005
From: "Gustavo Seabra gustavo.seabra-.-gmail.com" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL: Wikipedia
Message-Id: <-30130-051130144058-2281-5ntI5CsinuADGjqzj/Ti/Q_+_server.ccl.net>
X-Original-From: Gustavo Seabra <gustavo.seabra*_*gmail.com>
Content-Disposition: inline
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Date: Wed, 30 Nov 2005 13:46:33 -0500
MIME-Version: 1.0


Sent to CCL by: Gustavo Seabra [gustavo.seabra/a\gmail.com]
Hi,

I just wanted to add my .02 to the discussion...

I have to agree with Brian Salter-Duke in that, if it is "pedia"
material, Wikipedia is the place to go. I also don't see any reason to
add a new service, as it would be redundant, unless there are special
needs not provided by Wikipedia. I like the Wikipedia idea, because it
is one place to go for general information about pretty much anything,
but its just that: general information. If we need anymore than that,
well, we are scientists and know how to get information. (Of course,
references in Wikipedia is also agood thing.)

That brings another point, of publication of articles in Wikipedia.
This is one example when a private Wiki would be better. But there's
still the problem that a Wiki article can be changed, updated or even
removed by the author, so these sources would be too volatile for real
scientific material, IMHO.

--
---------------------------------------------------------------------------------------------
Gustavo Seabra                                    Postdoctoral Associate
Quantum Theory Project                             University of Florida
Registered Linux user number 381680
Say NO! to software patents: http://www.nosoftwarepatents.com
---------------------------------------------------------------------------------------------
If at first you don't succeed...
                              ...skydiving is not for you.


From owner-chemistry@ccl.net Wed Nov 30 18:20:00 2005
From: "Konstantin Kudin konstantin_kudin||yahoo.com" <owner-chemistry .. server.ccl.net>
To: CCL
Subject: CCL: pkA of protonated alcohols - any data?
Message-Id: <-30131-051130174739-18593-HUxe212LcWIrK3mOVXVbIA .. server.ccl.net>
X-Original-From: Konstantin Kudin <konstantin_kudin]![yahoo.com>
Content-Transfer-Encoding: 8bit
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Date: Wed, 30 Nov 2005 14:47:26 -0800 (PST)
MIME-Version: 1.0


Sent to CCL by: Konstantin Kudin [konstantin_kudin%a%yahoo.com]
 Hi all,

 While we are on the subject, does anyone know a good reference for
either theoretical or experimental pkA values of protonated alcohols,
as in :
 ROH2+ -> ROH + H+

 Thanks!
 Konstantin

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com


From owner-chemistry@ccl.net Wed Nov 30 19:06:00 2005
From: "Peter Gannett pgannett#hsc.wvu.edu" <owner-chemistry(_)server.ccl.net>
To: CCL
Subject: CCL:G: DNA Z-matrix
Message-Id: <-30132-051130182436-31514-760VDPvCrfFAgaJLQTvnFg(_)server.ccl.net>
X-Original-From: "Peter Gannett" <pgannett[]hsc.wvu.edu>
Content-Disposition: inline
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Date: Wed, 30 Nov 2005 17:45:13 -0500
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Sent to CCL by: "Peter Gannett" [pgannett=-=hsc.wvu.edu]
Sounds like a formidable calculation.

If you have a pdb file you could convert it with babel.

Pete

>>> owner-chemistry]![ccl.net 11/30 4:46 PM >>>
Sent to CCL by: "Dwayne Joseph" [dwayne_joseph]|[hotmail.com]
Hello,

I am a graduate student in physics at Florida A&M University.  I was
told 
that i could receive information for GAUSSIAN98 at this email address. 
I'm 
currently trying to find a DNA protein Z-matrix to use as an input file
for 
GAUSSIAN98.  Any assistance  would be greatly appreciated.

-Dwayne Joseph

<html><DIV><FONT color=#000099>"... I believe in God because when it is
my 
time to go&nbsp;I will go!"<BR>- Ashraff from 
Pakistan<BR></FONT></DIV></htmlhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt

From owner-chemistry@ccl.net Wed Nov 30 19:41:00 2005
From: "Eric Scerri scerri:chem.ucla.edu" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL: TOC/ latest issue of Foundations of Chemistry
Message-Id: <-30133-051130192440-3737-Xw92UGia7mZ4AtJGa7vVuA{=}server.ccl.net>
X-Original-From: Eric Scerri <scerri#%#chem.ucla.edu>
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Date: Wed, 30 Nov 2005 16:22:44 -0800
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Sent to CCL by: Eric Scerri [scerri%%chem.ucla.edu]

--Apple-Mail-8-470542437
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>
>
=EF=BF=BC
> Foundations of Chemistry
> Publisher: Springer Science+Business Media B.V., Formerly Kluwer =20
> Academic Publishers B.V.
> ISSN: 1386-4238 (Paper) 1572-8463 (Online)
> Issue: Volume 7, Number 3
> Date:  October 2005
>
=EF=BF=BC
>
> Editorial
>
>
>
> Editorial 21
> (199 - 202)
>
> Eric R. Scerri
>
> DOI: 10.1007/s10698-005-4510-y
>
>
>
>
> A Revised Periodic Table: With the Lanthanides Repositioned
> (203 - 233)
>
> Michael Laing
>
> DOI: 10.1007/s10698-004-5959-9
>
>
>
>
> On Recent Discussion Concerning Quantum Justification of the =20
> Periodic Table of the Elements
> (235 - 239)
>
> V. N. Ostrovsky
>
> DOI: 10.1007/s10698-005-2141-y
>
>
>
>
> Activity of Closed d-Shells in Noble Metal Atoms
> (241 - 268)
>
> Octavio Novaro
>
> DOI: 10.1007/s10698-004-0787-5
>
>
>
>
> Green Chemistry: An Innovative Technology
> (269 - 287)
>
> M. Kidwai and R. Mohan
>
> DOI: 10.1007/s10698-004-2783-1
>
>
>
>
> Reflections About Mathematical Chemistry
> (289 - 306)
>
> A.T. Balaban
>
> DOI: 10.1007/s10698-005-0779-0
>
>
>
>
>
> Simple Chemical Reactions in the Solid State: Towards Elaborating a =20=

> Conception
> (307 - 314)
>
> A. Korobov
>
> DOI: 10.1007/s10698-005-7326-x
>
>
>
>
> Book Review
>
>
> Book Review:Michael D. Gordin: A Well-Ordered Thing: Dmitrii =20
> Mendeleev and the Shadow of the Periodic Table, Basic Books, New =20
> York, 2004, 364 + xx pp., ISBN 0-465-02775-X, $30Book Review
> (315 - 319)
>
> Carmen Giunta
>
> DOI: 10.1007/s10698-005-7201-9
>
>
>
>
> Book Review
>
>
> Book Review:Mark Albert: Galen=E2=80=99s Lectures: A Novel About =20
> Chemistry, Xlibris Corporation, 2000, 493 pp. (ISBN 0-7388-4196-X)
> (321 - 324)
>
> Harry E. Pence
>
> DOI: 10.1007/s10698-005-7197-1
>
>
>
>
> Author Index
>
>
>
> Author Index Volume 7
> (325 - 325)
>
> DOI: 10.1007/s10698-005-4509-4
>
>
>
>
> Contents of Volume
>
>
>
> Contents of Volume 7
> (327 - 329)
>
> DOI: 10.1007/s10698-005-4515-6
>
>
>
>
> Instructions For Authors
>
>
>
> Instructions For Authors
> (331 - 337)
>
> DOI: 10.1007/s10698-005-4516-5
>
>
>
>

Also see the latest issue of the other journal for Philosophy of =20
Chemistry, called Hyle, at

http://www.hyle.org/journal/issues/11-2/index.html



>
> Dr. Eric Scerri,
> Department of Chemistry & Biochemistry,
> UCLA,
> Los Angeles,
> CA 90095-1569
>
> E-mail scerri(a)chem.ucla.edu
> Tel: 310 206 7443
>
> Web Page
> http://www.chem.ucla.edu/dept/Faculty/scerri/
>
> Editor of Foundations of Chemistry,
>
> http://www.springer.com/sgw/cda/frontpage/=20
> 0,11855,5-0-70-35545882-0,00.h
>
> Also see International Society for the Philosophy of Chemistry
> http://ispc.sas.upenn.edu/
>
>
>
>
>
>

Dr. Eric Scerri,
Department of Chemistry & Biochemistry,
UCLA,
Los Angeles,
CA 90095-1569

E-mail scerri(a)chem.ucla.edu
Tel: 310 206 7443

Web Page
http://www.chem.ucla.edu/dept/Faculty/scerri/

Editor of Foundations of Chemistry,

http://www.springer.com/sgw/cda/frontpage/0,11855,5-0-70-35545882-0,00.h

Also see International Society for the Philosophy of Chemistry
http://ispc.sas.upenn.edu/





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12px;">Issue:=A0Volume 7, Number 3</SPAN></FONT></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Date:=A0 October =
2005</SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY></TABL=
E></TD></TR></TBODY></TABLE><FONT class=3D"Apple-style-span" =
color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;"><BR></SPAN></FONT><IMG =
src=3D"cid:A1FBCE9D-EE27-4557-A84B-EB2E8AF8B325(a)chem.ucla.edu"><TABLE =
width=3D"674.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD colspan=3D"4" valign=3D"middle" style=3D"width: =
454.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 12px/normal Arial; color: rgb(64, 64, 64); =
min-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: =
12px;"><B>Editorial</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD>=
</TR></TBODY></TABLE></TD></TR></TBODY></TABLE><BR><TABLE width=3D"674.0" =
cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"top" style=3D"width: 16.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"middle" style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,1,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Editorial =
21</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" style=3D"width: =
60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"text-align: =
right;margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>(199 - 202)</B></SPAN></FONT></DIV></TD></TR><TR><TD =
colspan=3D"2" valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Eric R. =
Scerri</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-4510-y</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"></TD></TR></TBODY></TABLE></TD></TR></TBODY></TABLE></TD></TR></TBO=
DY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: =
468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" =
cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; min-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"top" style=3D"width:=
 16.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 12px/normal Arial; color: rgb(64, 64, 64); =
min-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,2,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>A Revised Periodic Table: With the =
Lanthanides Repositioned</B></SPAN></FONT></A></DIV></TD><TD =
valign=3D"top" style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"text-align: right;margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; "><FONT =
class=3D"Apple-style-span" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;"><B>(203 - =
233)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Michael =
Laing</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" valign=3D"middle"=
 style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-004-5959-9</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR></TBODY></TABLE></TD></TR></TBODY></=
TABLE></TD></TR></TBODY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"></TD><TD valign=3D"top" style=3D"width: 16.0px; =
padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 12px/normal Arial; color: rgb(64, 64, 64); min-height: =
14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,3,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>On Recent Discussion Concerning Quantum =
Justification of the Periodic Table of the =
Elements</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(235 - =
239)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">V. N. =
Ostrovsky</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-2141-y</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR></TBODY></TABLE></TD></TR></TBODY></=
TABLE></TD></TR></TBODY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"></TD><TD valign=3D"top" style=3D"width: 16.0px; =
padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 12px/normal Arial; color: rgb(64, 64, 64); min-height: =
14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,4,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Activity of Closed d-Shells in Noble Metal =
Atoms</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" style=3D"width: =
60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"text-align: =
right;margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>(241 - 268)</B></SPAN></FONT></DIV></TD></TR><TR><TD =
colspan=3D"2" valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Octavio =
Novaro</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-004-0787-5</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR></TBODY></TABLE></TD></TR></TBODY></=
TABLE></TD></TR></TBODY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"></TD><TD valign=3D"top" style=3D"width: 16.0px; =
padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 12px/normal Arial; color: rgb(64, 64, 64); min-height: =
14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,5,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Green Chemistry: An Innovative =
Technology</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(269 - =
287)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">M. Kidwai and R. =
Mohan</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" valign=3D"middle"=
 style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-004-2783-1</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"></TD></TR></TBODY></TABLE></TD></TR></TBODY></TABLE></TD></TR></TBO=
DY></TABLE><DIV><BR class=3D"khtml-block-placeholder"></DIV><FONT =
class=3D"Apple-style-span" color=3D"#404040"></FONT><TABLE width=3D"674.0"=
 cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"></TD><TD valign=3D"top" style=3D"width: 16.0px; =
padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 12px/normal Arial; color: rgb(64, 64, 64); min-height: =
14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,6,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Reflections About Mathematical =
Chemistry</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(289 - =
306)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">A.T. =
Balaban</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-0779-0</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR></TBODY></TABLE></TD></TR></TBODY></=
TABLE></TD></TR></TBODY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"top" style=3D"width: 16.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"middle" style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,7,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Simple Chemical Reactions in the Solid =
State: Towards Elaborating a =
Conception</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(307 - =
314)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">A. =
Korobov</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-7326-x</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Book =
Review</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY>=
</TABLE></TD></TR></TBODY></TABLE><TABLE width=3D"674.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; min-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"top" style=3D"width:=
 16.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 12px/normal Arial; color: rgb(64, 64, 64); =
min-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,8,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Book Review:Michael D. Gordin: A =
Well-Ordered Thing: Dmitrii Mendeleev and the Shadow of the Periodic =
Table, Basic Books, New York, 2004, 364 + xx pp., ISBN 0-465-02775-X, =
$30Book Review</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(315 - =
319)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Carmen =
Giunta</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-7201-9</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Book =
Review</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY>=
</TABLE></TD></TR></TBODY></TABLE><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT><TABLE width=3D"674.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 674.0px"><TBODY><TR><TD valign=3D"top" =
style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px 5.0px"><TABLE =
width=3D"468.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
468.0px"><TBODY><TR><TD valign=3D"middle" style=3D"width: 468.0px; =
padding: 0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"458.0" cellspacing=3D"0"=
 cellpadding=3D"0" style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"></TD><TD valign=3D"top" style=3D"width: 16.0px; =
padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 12px/normal Arial; color: rgb(64, 64, 64); min-height: =
14px; "><FONT class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD><TD valign=3D"middle" =
style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,9,12;journal,2,22;linkingp=
ublicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Book Review:Mark Albert: Galen=92s =
Lectures: A Novel About Chemistry, Xlibris Corporation, 2000, 493 pp. =
(ISBN 0-7388-4196-X)</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" =
style=3D"width: 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"text-align: right;margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; "><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>(321 - =
324)</B></SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" =
valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">Harry E. =
Pence</SPAN></FONT></DIV></TD></TR><TR><TD colspan=3D"2" valign=3D"middle"=
 style=3D"width: 38.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-7197-1</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Author =
Index</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY><=
/TABLE></TD></TR></TBODY></TABLE><BR><TABLE width=3D"674.0" =
cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"top" style=3D"width: 16.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"middle" style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,10,12;journal,2,22;linking=
publicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Author Index Volume =
7</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" style=3D"width: =
60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"text-align: =
right;margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>(325 - 325)</B></SPAN></FONT></DIV></TD></TR><TR><TD =
colspan=3D"2" valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-4509-4</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Contents of =
Volume</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY>=
</TABLE></TD></TR></TBODY></TABLE><BR><TABLE width=3D"674.0" =
cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"top" style=3D"width: 16.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"middle" style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,11,12;journal,2,22;linking=
publicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Contents of Volume =
7</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" style=3D"width: =
60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"text-align: =
right;margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>(327 - 329)</B></SPAN></FONT></DIV></TD></TR><TR><TD =
colspan=3D"2" valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-4515-6</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR><TR><TD valign=3D"middle" =
style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px 2.0px"><P =
style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT class=3D"Apple-style-span"=
 color=3D"#404040" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"3" valign=3D"top" =
style=3D"width: 368.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Instructions For =
Authors</B></SPAN></FONT></DIV></TD></TR></TBODY></TABLE></TD></TR></TBODY=
></TABLE></TD></TR></TBODY></TABLE><BR><TABLE width=3D"674.0" =
cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
674.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 468.0px; padding: =
0.0px 5.0px 0.0px 5.0px"><TABLE width=3D"468.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 468.0px"><TBODY><TR><TD =
valign=3D"middle" style=3D"width: 468.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><TABLE width=3D"458.0" cellspacing=3D"0" cellpadding=3D"0" =
style=3D"width: 458.0px; padding: 2.0px 0.0px 2.0px =
0.0px"><TBODY><TR><TD valign=3D"top" style=3D"width: 18.0px; padding: =
0.0px 2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: =
0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"top" style=3D"width: 16.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
valign=3D"middle" style=3D"width: 348.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; "><A =
href=3D"http://www.springerlink.com/(2t344q55dvkt2o55w5t3hz55)/app/home/co=
ntribution.asp?referrer=3Dparent&backto=3Dissue,12,12;journal,2,22;linking=
publicationresults,1:103024,1"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>Instructions For =
Authors</B></SPAN></FONT></A></DIV></TD><TD valign=3D"top" style=3D"width:=
 60.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV style=3D"text-align: =
right;margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>(331 - 337)</B></SPAN></FONT></DIV></TD></TR><TR><TD =
colspan=3D"2" valign=3D"middle" style=3D"width: 38.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD><TD colspan=3D"2" valign=3D"middle" =
style=3D"width: 414.0px; padding: 0.0px 2.0px 0.0px 2.0px"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; "><FONT class=3D"Apple-style-span" color=3D"#404040" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;">DOI: =
10.1007/s10698-005-4516-5</SPAN></FONT></DIV></TD></TR><TR><TD =
valign=3D"middle" style=3D"width: 18.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; font: normal normal normal 12px/normal Arial; =
color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" color=3D"#404040"><BR></FONT></DIV></TD><TD =
colspan=3D"3" valign=3D"middle" style=3D"width: 370.0px; padding: 0.0px =
2.0px 0.0px 2.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; font: normal normal normal =
12px/normal Arial; color: rgb(64, 64, 64); min-height: 14px; "><FONT =
class=3D"Apple-style-span" =
color=3D"#404040"><BR></FONT></DIV></TD></TR><TR><TD colspan=3D"4" =
valign=3D"middle" style=3D"width: 454.0px; padding: 0.0px 2.0px 0.0px =
2.0px"><P style=3D"margin: 0.0px 0.0px 0.0px 0.0px"><FONT =
class=3D"Apple-style-span" color=3D"#404040" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">=A0</SPAN></FONT></P></TD></TR></TBODY></TABLE></TD></TR></TBODY></=
TABLE></TD></TR></TBODY></TABLE><DIV><BR =
class=3D"khtml-block-placeholder"></DIV></BLOCKQUOTE><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>Also see the latest issue =
of the other journal for Philosophy of Chemistry, called Hyle, =
at</DIV><DIV><BR class=3D"khtml-block-placeholder"></DIV><DIV><A =
href=3D"http://www.hyle.org/journal/issues/11-2/index.html">http://www.hyl=
e.org/journal/issues/11-2/index.html</A></DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><BR><BLOCKQUOTE =
type=3D"cite"><DIV></DIV><BR><DIV> <SPAN class=3D"Apple-style-span" =
style=3D"border-collapse: separate; border-spacing: 0px 0px; color: =
rgb(0, 0, 0); font-family: Helvetica; font-size: 18px; font-style: =
normal; font-variant: normal; font-weight: normal; letter-spacing: =
normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 18px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><DIV>Dr. Eric =
Scerri,</DIV><DIV>Department of Chemistry &amp; =
Biochemistry,</DIV><DIV>UCLA,</DIV><DIV>Los Angeles,</DIV><DIV>CA =
90095-1569</DIV><DIV><BR></DIV><DIV>E-mail <A =
href=3D"mailto:scerri(a)chem.ucla.edu">scerri(a)chem.ucla.edu</A></DIV><DIV>Te=
l: 310 206 7443</DIV><DIV><BR></DIV><DIV>Web Page</DIV><DIV><A =
href=3D"http://www.chem.ucla.edu/dept/Faculty/scerri/">http://www.chem.ucl=
a.edu/dept/Faculty/scerri/</A></DIV><DIV class=3D"MsoNormal"><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>Editor of Foundations of =
Chemistry,=A0</DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV><A =
href=3D"http://www.springer.com/sgw/cda/frontpage/0,11855,5-0-70-35545882-=
0,00.h">http://www.springer.com/sgw/cda/frontpage/0,11855,5-0-70-35545882-=
0,00.h</A></DIV><DIV><BR></DIV><DIV>Also see International Society for =
the Philosophy of Chemistry</DIV><DIV><A =
href=3D"http://ispc.sas.upenn.edu">http://ispc.sas.upenn.edu</A>/</DIV><DI=
V><BR></DIV><DIV>=A0</DIV><BR =
class=3D"Apple-interchange-newline"></SPAN></SPAN> </DIV><BR><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV></BLOCKQUOTE></DIV><BR><DIV> =
<SPAN class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 18px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 18px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><DIV>Dr. Eric =
Scerri,</DIV><DIV>Department of Chemistry &amp; =
Biochemistry,</DIV><DIV>UCLA,</DIV><DIV>Los Angeles,</DIV><DIV>CA =
90095-1569</DIV><DIV><BR></DIV><DIV>E-mail <A =
href=3D"mailto:scerri(a)chem.ucla.edu">scerri(a)chem.ucla.edu</A></DIV><DIV>Te=
l: 310 206 7443</DIV><DIV><BR></DIV><DIV>Web Page</DIV><DIV><A =
href=3D"http://www.chem.ucla.edu/dept/Faculty/scerri/">http://www.chem.ucl=
a.edu/dept/Faculty/scerri/</A></DIV><DIV class=3D"MsoNormal"><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>Editor of Foundations of =
Chemistry,=A0</DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV><A =
href=3D"http://www.springer.com/sgw/cda/frontpage/0,11855,5-0-70-35545882-=
0,00.h">http://www.springer.com/sgw/cda/frontpage/0,11855,5-0-70-35545882-=
0,00.h</A></DIV><DIV><BR></DIV><DIV>Also see International Society for =
the Philosophy of Chemistry</DIV><DIV><A =
href=3D"http://ispc.sas.upenn.edu">http://ispc.sas.upenn.edu</A>/</DIV><DI=
V><BR></DIV><DIV>=A0</DIV><BR =
class=3D"Apple-interchange-newline"></SPAN></SPAN> =
</DIV><BR></BODY></HTML>=

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From owner-chemistry@ccl.net Wed Nov 30 21:15:02 2005
From: "Samuel Flores samuel.flores^yale.edu" <owner-chemistry : server.ccl.net>
To: CCL
Subject: CCL:G: .dcd file in charmm?
Message-Id: <-30134-051130205250-29006-r6VLGIExEjLktSxZXtQtRw : server.ccl.net>
X-Original-From: "Samuel Flores" <samuel.flores() yale.edu>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain;
	charset="us-ascii"
Date: Wed, 30 Nov 2005 20:11:49 -0500
MIME-Version: 1.0


Sent to CCL by: "Samuel Flores" [samuel.flores..yale.edu]
Hi guys,

I would like to visualize the trajectory generated by charmm.  I am told VMD
can do this, but requires a .dcd whereas I have a .cor.  Can anyone tell me
how to get charmm to output a .dcd?

Many thanks.

Samuel Flores
Graduate Student
Gerstein Lab 
 
Office:
Bass 437
266 Whitney Avenue
New Haven, CT 06520 
203.432.5405
 
Home: 
28 Pearl Street
New Haven, CT 06511
cell: 203.747.2682 

-----Original Message-----
> From: owner-chemistry_-_ccl.net [mailto:owner-chemistry_-_ccl.net] 
Sent: Wednesday, November 30, 2005 7:33 PM
To: Flores, Samuel 
Subject: CCL:G: DNA Z-matrix

Sent to CCL by: "Peter Gannett" [pgannett=-=hsc.wvu.edu]
Sounds like a formidable calculation.

If you have a pdb file you could convert it with babel.

Pete

>>> owner-chemistry(a)ccl.net 11/30 4:46 PM >>>
Sent to CCL by: "Dwayne Joseph" [dwayne_joseph]|[hotmail.com]
Hello,

I am a graduate student in physics at Florida A&M University.  I was
told 
that i could receive information for GAUSSIAN98 at this email address. 
I'm 
currently trying to find a DNA protein Z-matrix to use as an input file
for 
GAUSSIAN98.  Any assistance  would be greatly appreciated.

-Dwayne Joseph

<html><DIV><FONT color=#000099>"... I believe in God because when it is
my 
time to go&nbsp;I will go!"<BR>- Ashraff from 
Pakistan<BR></FONT></DIV></htmlhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messa
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Before posting check wait time for next message at: http://www.ccl.nethttp://www.ccl.net/spammers.txt

From owner-chemistry@ccl.net Wed Nov 30 21:54:10 2005
From: "Sengen Sun sengensun^yahoo.com" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: question on molecular orbitals in CO and NO
Message-Id: <-30135-051130212726-16240-n4bCnJaStMmo681Ftu9Naw=server.ccl.net>
X-Original-From: Sengen Sun <sengensun ~ yahoo.com>
Content-Transfer-Encoding: 8bit
Content-Type: text/plain; charset=iso-8859-1
Date: Wed, 30 Nov 2005 18:27:04 -0800 (PST)
MIME-Version: 1.0


Sent to CCL by: Sengen Sun [sengensun^_^yahoo.com]



I like Steinmetz’s comment “that Hoffmann is a poet
and uses metaphors to convey insight.”

This is exactly my problem to understand metaphors.
But based on the direct meaning of word-by-word, there
could be the following choices:

(A) There are clearly different philosophical opinions
on orbitals based on the quote and the discussions.
(B) No issue here. All the opinions are essentially
the same.
(C) It is not clear whether there is a difference.
(D) All A, B, and C.
(E) Not A, not B, and not C.

My choice is A. 

Has photoelectron spectroscopy provided us with
experimental proof of the ways orbitals interact? 

To Hoffmann, the answer is yes.
To Noko Phala, Ulrike Salzner and an anonymity, the
answer is NO. 
To Alan Shusterman, yes and no (it depends). (Correct
me if I am wrong).

This is actually my original concern. Science has
advanced to such an stage of complexity that
scientists have the difficulty to understand each
other even how to define an issue. I bet that students
like me have a hard time to understand.

Sengen


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From owner-chemistry@ccl.net Wed Nov 30 23:54:00 2005
From: "Rick Venable rvenable : pollux.cber.nih.gov" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL: .dcd file in charmm?
Message-Id: <-30136-051130230952-2896-jkocSp7FzhnnPvYKOlkFFQ*server.ccl.net>
X-Original-From: Rick Venable <rvenable(~)pollux.cber.nih.gov>
Content-Type: TEXT/PLAIN; charset=US-ASCII
Date: Wed, 30 Nov 2005 23:07:40 -0500
MIME-Version: 1.0


Sent to CCL by: Rick Venable [rvenable,+,pollux.cber.nih.gov]
On Wed, 30 Nov 2005, Samuel Flores samuel.flores^yale.edu wrote:
> I would like to visualize the trajectory generated by charmm.  I am
> told VMD can do this, but requires a .dcd whereas I have a .cor.  Can
> anyone tell me how to get charmm to output a .dcd?

	The file extension is somewhat arbitrary; .cor, .dcd, and .trj
have all been in in common usage for CHARMM binary coordinate trajectory
files.  (I believe the .dcd extension was introduced by an Accelrys
progenitor for the commercial CHARMm.)  Note that since it is a binary
file, things like the word size (32-bit or 64-bit) or the byte ordering
(big- and little-endian) can have an impact on whether or not VMD on one
machine can read and view a trajectory created with CHARMM on another.

-------------------------------------
Rick Venable           29/500
FDA/CBER/OVRR Biophysics Lab
1401 Rockville Pike    HFM-419
Rockville, MD  20852-1448  U.S.A.
(301) 496-1905  Rick_Venable AT nih*gov
ALT email:  rvenable AT speakeasy*org
-------------------------------------